General Information of the Compound
| Compound ID |
CP0959634
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-Benzyl-3-(8-fluoroquinolin-6-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H17FN4O
|
||||||||||||||||||
| Molecular Weight |
396.425
|
||||||||||||||||||
| Canonical SMILES |
O=C(NCc1ccccc1)c1cnc2[nH]cc(-c3cc(F)c4ncccc4c3)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H17FN4O/c25-21-11-17(9-16-7-4-8-26-22(16)21)20-14-28-23-19(20)10-18(13-27-23)24(30)29-12-15-5-2-1-3-6-15/h1-11,13-14H,12H2,(H,27,28)(H,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UDZZFGIWCOHTOH-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01592, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
Protein ID: PT01056, Dual specificity tyrosine-phosphorylation-regulated kinase 1B